3-methylbutyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 3-methylbutyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: isopentyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid isoamyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-15(2)12-13-26-21(25)19-17-10-6-7-11-18(17)20(24)23(22-19)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3